SCHEMBL21733503

SCHEMBL21733503

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(C3Cc4ncnc(N5CCNCC5)c4CC3C)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.34
TLR7 Q9NYK1 1/20 0.32
HTR3A P46098 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
PRMT5 O14744 1/20 0.31
USP2 O75604 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
HSD17B10 Q99714 1/20 0.31
KIT P10721 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MTOR P42345 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21733682 0.88 HTR3A (0.33) KRASTLR7HTR3APRMT5USP2
SCHEMBL30177935 0.88 HTR3A (0.33) KRASTLR7HTR3APRMT5USP2
SCHEMBL21733454 0.87 KRAS (0.47) KRASKIT
SCHEMBL30834500 0.87 KRAS (0.47) KRASKIT
SCHEMBL21722246 0.87 KIT (0.32) TLR7HTR3AHTR3EHTR3BHTR3D
SCHEMBL21733452 0.81 QPCT (0.36) KRAS
SCHEMBL29191281 0.79 KRAS (0.45) KRASCYP1A2CYP3A4CYP2C19CLK4
Ammonia Solution, Strong SCHEMBL28501192 0.77 FGFR1 (0.33) TLR7HTR3APRMT5USP2CYP1A2
SCHEMBL21734026 0.77 TLR9 (0.36) KRASTLR7ALDH1A1
SCHEMBL21733830 0.76 GPR119 (0.38) KRASTLR7ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS KRAS 1/4885TLR7 4639/4885HTR3A 4652/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.